SCHEMBL18918387

SCHEMBL18918387

CB(C)c1ccc(Cl)cc1.CN(C(=O)Cn1nc(-c2ccc(Cl)c(F)c2)ccc1=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MAPT P10636 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ GRIN2B Q13224 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GPBAR1 Q8TDU6 1/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ TSPO P30536 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17504123 0.92 MAPT (0.47) MEN1KMT2AMAPTTSHRGRIN2B
SCHEMBL17504185 0.89 MAPT (0.45) MEN1KMT2AMAPTTSHRGRIN2B
SCHEMBL17504125 0.85 MEN1 (0.59) MEN1KMT2AMAPTTSHRALDH1A1
SCHEMBL17504156 0.80 GRIN2B (0.46) MEN1KMT2AMAPTTSHRGRIN2B
SCHEMBL17504167 0.78 MEN1 (0.68) MEN1KMT2AMAPTTSHRALDH1A1
SCHEMBL17504136 0.76 KDM4E (0.41) MEN1KMT2AMAPTKDM4EGPBAR1
SCHEMBL17504153 0.74 KDM4E (0.46) MEN1KMT2AKDM4EGPBAR1TSPO
SCHEMBL17504144 0.70 TSPO (0.40) MEN1KMT2AMAPTGRIN2BALDH1A1
SCHEMBL23297365 0.65 HDAC1 (0.60) MEN1KMT2AMAPTTSHRSMN1; SMN2
SCHEMBL17504176 0.64 MEN1 (0.48) MEN1KMT2AMAPTTSHRGRIN2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3180319-B1 NOVEL PYRIDAZONES AND TRIAZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2018-10-03 — — EP disclosed
US-9902701-B2 Pyridazones and triazinones for treatment and prophylaxis of hepatitis B virus infection HOFFMAN-LA ROCHE INC. (US) 2018-02-27 — — US disclosed
US-20170157133-A1 NOVEL PYRIDAZONES AND TRIAZINONES FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2017-06-08 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170157133-A1 NOVEL PYRIDAZONES AND TRIAZINONES FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, CYP3A43, CYP4B1 MEN1 3241/4885KMT2A 2716/4885MAPT 3041/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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